2-(3,4-dichlorophenyl)-4-(5-methoxypyrimidin-2-yl)morpholine

C15H15Cl2N3O2 — CID 56868196

IUPAC2-(3,4-dichlorophenyl)-4-(5-methoxypyrimidin-2-yl)morpholine
SMILESCOc1cnc(N2CCOC(c3ccc(Cl)c(Cl)c3)C2)nc1
InChIInChI=1S/C15H15Cl2N3O2/c1-21-11-7-18-15(19-8-11)20-4-5-22-14(9-20)10-2-3-12(16)13(17)6-10/h2-3,6-8,14H,4-5,9H2,1H3
InChIKeyMDWDUHFEJWUDGU-UHFFFAOYSA-N
MW340.21 g/mol
LogP3.37
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-4-(5-methoxypyrimidin-2-yl)morpholine

2-(3,4-dichlorophenyl)-4-(5-methoxypyrimidin-2-yl)morpholine (PubChem CID 56868196) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-(5-methoxypyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-(5-methoxypyrimidin-2-yl)morpholine
PubChem CID56868196
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC Name2-(3,4-dichlorophenyl)-4-(5-methoxypyrimidin-2-yl)morpholine
SMILESCOc1cnc(N2CCOC(c3ccc(Cl)c(Cl)c3)C2)nc1
InChIInChI=1S/C15H15Cl2N3O2/c1-21-11-7-18-15(19-8-11)20-4-5-22-14(9-20)10-2-3-12(16)13(17)6-10/h2-3,6-8,14H,4-5,9H2,1H3
InChIKeyMDWDUHFEJWUDGU-UHFFFAOYSA-N
XLogP3.37
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
CID 95551468
2-(3,4-dichlorophenyl)-4-(3-methoxypyrazin-2-yl)morpholine
CID 56871103
2-(6-methoxynaphthalen-2-yl)-4-pyrimidin-2-ylmorpholine
CID 56878637
2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine
CID 56880782
(2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 95551993
4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95175522
(2R)-2-(3,4-dichlorophenyl)-4-(3-fluoro-4-pyridinyl)morpholine
CID 95562855
2-(3,4-dichlorophenyl)-4-(2,5-dimethyl-1,2,4-triazol-3-yl)morpholine
CID 135106958
5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 95558901
6-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide
CID 95532245
4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol
CID 95553357
4-(2,5-dimethylpyrimidin-4-yl)-2-(6-methoxynaphthalen-2-yl)morpholine
CID 56876687

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-(5-methoxypyrimidin-2-yl)morpholine?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-(5-methoxypyrimidin-2-yl)morpholine (CID 56868196) is 2-(3,4-dichlorophenyl)-4-(5-methoxypyrimidin-2-yl)morpholine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-(5-methoxypyrimidin-2-yl)morpholine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-(5-methoxypyrimidin-2-yl)morpholine is COc1cnc(N2CCOC(c3ccc(Cl)c(Cl)c3)C2)nc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-(5-methoxypyrimidin-2-yl)morpholine?
The InChIKey is MDWDUHFEJWUDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c1-21-11-7-18-15(19-8-11)20-4-5-22-14(9-20)10-2-3-12(16)13(17)6-10/h2-3,6-8,14H,4-5,9H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-4-(5-methoxypyrimidin-2-yl)morpholine?
2-(3,4-dichlorophenyl)-4-(5-methoxypyrimidin-2-yl)morpholine has a molecular weight of 340.21 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-(5-methoxypyrimidin-2-yl)morpholine is sourced from PubChem (CID 56868196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).